Geometry & MOs

Info

ID:

214952

PubChem CID:

85083909

Reduced:

FSN6O6C32H35 (1)

Stoich.:

ABC6D6E32F35 (1)

Weight, g/mol:

650.231139

ΔHf, kcal/mol:

-221.7

Dipole, Da:

12.62

IP(EA), eV:

 -9.16(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[7-amino-1,2-dioxo-1-(3-pyridin-3-yloxyanilino)heptan-3-yl]amino]-2-oxoethyl]-2-(2-cyanophenyl)sulfanyl-N-methylbenzamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4C(SC5N4C(=O)C5NC(=O)C(C6=CC=CC=C6)N)(C)C)F)C(=O)O

DOS

IR

Vibrations